UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (4-tert-butylphenyl)-(4,4,7-trimethyl-1-thioxo-dithiolo[3,4-c]quinolin-5-yl)methanone (4-tert-butylphenyl)-(4,4,7-trim…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 7.42 1.08 -6.99 0 2 0 20 439.671 2 ↓

Analogs

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Popular Name: 8-chloro-5-(4-ethoxybenzoyl)-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione 8-chloro-5-(4-ethoxybenzoyl)-4,4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.38 1.15 -7.85 0 3 0 29 448.034 3 ↓

Analogs

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Popular Name: 8-tert-butyl-4,4-dimethyl-5-(4-methylbenzoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione 8-tert-butyl-4,4-dimethyl-5-(4-m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 7.42 2.74 -7.23 1 0 0 20 439.671 2 ↓

Analogs

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Popular Name: 8-tert-butyl-5-(4-ethoxybenzoyl)-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione 8-tert-butyl-5-(4-ethoxybenzoyl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 7.40 2.47 -7.36 1 0 0 29 469.697 3 ↓

Analogs

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Popular Name: 5-(2-ethoxybenzoyl)-8-fluoro-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione 5-(2-ethoxybenzoyl)-8-fluoro-4,4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.36 2.39 -10.62 0 3 0 29 431.579 3 ↓

Analogs

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Popular Name: 7-fluoro-4,4-dimethyl-5-(3-methylbenzoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione 7-fluoro-4,4-dimethyl-5-(3-methy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.85 2.28 -6.33 0 2 0 20 401.553 1 ↓

Analogs

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Popular Name: 8-fluoro-4,4-dimethyl-5-(3-methylbenzoyl)-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione 8-fluoro-4,4-dimethyl-5-(3-methy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.85 2.29 -8.33 0 2 0 20 401.553 1 ↓

Analogs

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Popular Name: 5-(4-fluorobenzoyl)-4,4,7,8-tetramethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione 5-(4-fluorobenzoyl)-4,4,7,8-tetr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.25 0.92 -6.82 0 2 0 20 415.58 1 ↓

Analogs

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Popular Name: (2,4,5-trimethoxyphenyl)-(4,4,8-trimethyl-1-thioxo-dithiolo[3,4-c]quinolin-5-yl)methanone (2,4,5-trimethoxyphenyl)-(4,4,8-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.89 11.74 -12.73 0 5 0 48 473.641 4 ↓

Parameters Provided:

ring.id = 229506
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 229506 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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